Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3750563

Cc1c(C(=O)N(C)C2CCN(C)CC2)c2ccccc2n1S(=O)(=O)c1ccc(Br)s1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL3744507 0.87 HTR6 (0.39) HTR6HCRTR1HCRTR2MEN1KMT2A
SCHEMBL3744512 0.82 HTR6 (0.36) HTR6HCRTR1HCRTR2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3748726 0.75 HTR6 (0.39) HTR6MAPTHTT
Trifluoroacetic Acid SCHEMBL3749336 0.75 HTR6 (0.39) HTR6HCRTR1HCRTR2KMT2AMAPT
Trifluoroacetic Acid SCHEMBL3749084 0.75 HTR6 (0.66) HTR6MAPTHTT
Trifluoroacetic Acid SCHEMBL3761902 0.73 HTR6 (0.40) HTR6MAPT
Trifluoroacetic Acid SCHEMBL3750891 0.69 HTR6 (0.50) HTR6MEN1KMT2AHTTPOLB
Trifluoroacetic Acid SCHEMBL3752555 0.68 HTR6 (0.45) HTR6
Trifluoroacetic Acid SCHEMBL28780856 0.65 MCHR1 (0.59)
Trifluoroacetic Acid SCHEMBL3755211 0.65 HTR6 (0.66) HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D HTR6 12/4885HCRTR1 200/4885HCRTR2 286/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.